4-(3,4-dimethylphenyl)-2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one

Base Information

• Chemical Name: 4-(3,4-dimethylphenyl)-2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
• CAS No.: 6147-49-5
• Molecular Formula: C28H29N5O4
• Molecular Weight: 499.561
• DSSTox Substance ID: DTXSID80387381
• Wikidata: Q82181531

Synonyms:4-(3,4-dimethylphenyl)-2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one;6147-49-5;CBMicro_001767;ChemDiv1_003566;Oprea1_375504;HMS597C02;DTXSID80387381;SMSF0015567;STK026919;AKOS000294374;CB03205;BIM-0001655.P001;SR-01000433310;SR-01000433310-1

Chemical Property of 4-(3,4-dimethylphenyl)-2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one

Chemical Property:

• Vapor Pressure: 2.74E-22mmHg at 25°C
• Boiling Point: 728.7°Cat760mmHg
• Flash Point: 394.5°C
• Density: 1.33g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 499.22195442
• Heavy Atom Count: 37
• Complexity: 854

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)CCO)[N+](=O)[O-])C

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